(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol

C16H18O3 — CID 22831407

IUPAC(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
SMILESOC[C@@H](COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O3/c17-11-16(19-15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyBYIQSZTWHNXLCO-INIZCTEOSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds7

About (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol

(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol (PubChem CID 22831407) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
PubChem CID22831407
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
SMILESOC[C@@H](COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O3/c17-11-16(19-15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyBYIQSZTWHNXLCO-INIZCTEOSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-phenoxypropan-1-ol
CID 154118183
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
CID 172760983
CID 172760983
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
CID 59024475
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol?
The IUPAC name of (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol (CID 22831407) is (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol is OC[C@@H](COCc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol?
The InChIKey is BYIQSZTWHNXLCO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18O3/c17-11-16(19-15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol?
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 22831407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).